(1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide

C15H24N2O3 — CID 936000

IUPAC(1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESC[C@@]12CC[C@H]3C[C@]1(C(=O)NN1CCOCC1)OC[C@]32C
InChIInChI=1S/C15H24N2O3/c1-13-10-20-15(9-11(13)3-4-14(13,15)2)12(18)16-17-5-7-19-8-6-17/h11H,3-10H2,1-2H3,(H,16,18)/t11-,13+,14-,15+/m0/s1
InChIKeyVPHGUQVUUWLQJK-PMOUVXMZSA-N
MW280.37 g/mol
LogP0.95
Rot. Bonds2

About (1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide

(1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide (PubChem CID 936000) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
PubChem CID936000
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
SMILESC[C@@]12CC[C@H]3C[C@]1(C(=O)NN1CCOCC1)OC[C@]32C
InChIInChI=1S/C15H24N2O3/c1-13-10-20-15(9-11(13)3-4-14(13,15)2)12(18)16-17-5-7-19-8-6-17/h11H,3-10H2,1-2H3,(H,16,18)/t11-,13+,14-,15+/m0/s1
InChIKeyVPHGUQVUUWLQJK-PMOUVXMZSA-N
XLogP0.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-piperidin-1-ylmethanone
CID 4647003
(1S,3S,6R,7S)-6,7-dimethyl-N-(2,2,2-trifluoroethyl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
CID 906547
6,7-dimethyl-N-phenyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
CID 3151888
(1R,3S,6R,7S)-N-(4-chlorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
CID 124837290
(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 4685832
6,7-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
CID 19245363
(1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
CID 23375543
(1R,3S,6S,7R)-6,7-dimethyl-N-(4-nitrophenyl)-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
CID 23309388
methyl 2-[(6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carbonyl)amino]benzoate
CID 19245362
[(1R,3S,6S,7R)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 23308434
[(1R,3R,6S,7R)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonan-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 6922361
N-[(1R,3S,6S,7S)-3-cyano-6,7-dimethyl-4-azatricyclo[4.3.0.03,7]nonan-4-yl]acetamide
CID 98135407

Frequently Asked Questions

What is the IUPAC name of (1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The IUPAC name of (1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide (CID 936000) is (1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide.
What is the SMILES notation for (1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The canonical SMILES for (1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide is C[C@@]12CC[C@H]3C[C@]1(C(=O)NN1CCOCC1)OC[C@]32C.
What is the InChIKey of (1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
The InChIKey is VPHGUQVUUWLQJK-PMOUVXMZSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-13-10-20-15(9-11(13)3-4-14(13,15)2)12(18)16-17-5-7-19-8-6-17/h11H,3-10H2,1-2H3,(H,16,18)/t11-,13+,14-,15+/m0/s1.
What are the key properties of (1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide?
(1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,6R,7S)-6,7-dimethyl-N-morpholin-4-yl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide is sourced from PubChem (CID 936000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).